Chemical Name - Triacetin
Mol Weight - 218.204
Smiles - CC(OCC(COC(C)=O)OC(C)=O)=O
Mol Weight - 218.204
Smiles - CC(OCC(COC(C)=O)OC(C)=O)=O
| Property Value | |
| Mol Name | Triacetin |
| Molweight | 218.204 |
| Monoisotopic Mass | 218.07904 |
| Clogp | 0.0102 |
| Clogs | -1.071 |
| H Acceptors | 6 |
| Total Surface Area | 173.55 |
| Relative Psa | 0.39827 |
| Polar Surface Area | 78.9 |
| Druglikeness | -0.38141 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | high |
| Shape Index | 0.6 |
| Molecular Flexibility | 0.59465 |
| Molecular Complexity | 0.42796 |
| Fragments | 1 |
| Non H Atoms | 15 |
| Non Ch Atoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bonds | 8 |
| Sp3 Atoms | 9 |
| Symmetric Atoms | 5 |
| Smiles | CC(OCC(COC(C)=O)OC(C)=O)=O |
| InChIKey | InChI=1S/C9H14O6/c1-6(10)13-4-9(15-8(3)12)5-14-7(2)11/h9H,4-5H2,1-3H3 |
| InChI | URAYPUMNDPQOKB-UHFFFAOYSA-N |
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1 - Triacetin
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